1,2-Dichloroethane → methyl 4-[1-[4-[N'-(2-chlorophenyl)ureido]-3-methoxy phenylacetyl]-4,4-difluoro-2-pyrrolidinylmethoxy]benzoate

HRID 1125916Notes

Reaction equation

HRID 1125916 reaction equation
[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Cl:20][c:21]1[c:22]([NH:27][C:28]([NH:29][c:30]2[c:31]([O:40][CH3:41])[cH:32][c:33]([CH2:36][C:37](=[O:38])[OH:39])[cH:34][cH:35]2)=[O:42])[cH:23][cH:24][cH:25][cH:26]1.[ClH:47].[F:1][C:2]1([F:19])[CH2:3][CH:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]2)[NH:5][CH2:6]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[F:1][C:2]1([F:19])[CH2:3][CH:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]2)[N:5]([C:37]([CH2:36][c:33]2[cH:32][c:31]([O:40][CH3:41])[c:30]([NH:29][C:28]([NH:27][c:22]3[c:21]([Cl:20])[cH:26][cH:25][cH:24][cH:23]3)=[O:42])[cH:35][cH:34]2)=[O:38])[CH2:6]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 757711-HydroxybenzotriazoleHCID 235118674-[N'-(2-chlorophenyl)ureido]-3-methoxyphenylacetic acidHCID 23512388Methyl 4-(4,4-difluoro-2-pyrrolidinylmethoxy)benzoate

Product 1

HCID 69333413methyl 4-[1-[4-[N'-(2-chlorophenyl)ureido]-3-methoxy phenylacetyl]-4,4-difluoro-2-pyrrolidinylmethoxy]benzoate

Sources & evidence

ORD record
ord-402cc6a24620413da6e55d43558aebaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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